[2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine

C13H15N3O3S — CID 79259849

IUPAC[2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine
SMILESCS(=O)(=O)c1cccc(OCc2cc(NN)ccn2)c1
InChIInChI=1S/C13H15N3O3S/c1-20(17,18)13-4-2-3-12(8-13)19-9-11-7-10(16-14)5-6-15-11/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyWGLPXDBNOZQWGI-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.35
Rot. Bonds5

About [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine

[2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine (PubChem CID 79259849) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine
PubChem CID79259849
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name[2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine
SMILESCS(=O)(=O)c1cccc(OCc2cc(NN)ccn2)c1
InChIInChI=1S/C13H15N3O3S/c1-20(17,18)13-4-2-3-12(8-13)19-9-11-7-10(16-14)5-6-15-11/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyWGLPXDBNOZQWGI-UHFFFAOYSA-N
XLogP1.35
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
CID 79244238
[2-[(3,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260213
[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895899
[3-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 43806918
[2-[(4-iodophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260216
5-[(3-methylsulfonylphenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569829
[2-[(4-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260394
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 62486836
2-[[3-(dimethylamino)phenoxy]methyl]-N-methylpyridin-4-amine
CID 79259130
3-chloro-2-[(3-methylsulfonylphenoxy)methyl]aniline
CID 63746458
5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine
CID 62885480

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine (CID 79259849) is [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine is CS(=O)(=O)c1cccc(OCc2cc(NN)ccn2)c1.
What is the InChIKey of [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine?
The InChIKey is WGLPXDBNOZQWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-20(17,18)13-4-2-3-12(8-13)19-9-11-7-10(16-14)5-6-15-11/h2-8H,9,14H2,1H3,(H,15,16).
What are the key properties of [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine?
[2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine has a molecular weight of 293.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 79259849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).